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. 2017 May 23;7:2257. doi: 10.1038/s41598-017-02499-1

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© The Author(s) 2017

Open Access This article is licensed under a Creative Commons Attribution 4.0 International License, which permits use, sharing, adaptation, distribution and reproduction in any medium or format, as long as you give appropriate credit to the original author(s) and the source, provide a link to the Creative Commons license, and indicate if changes were made. The images or other third party material in this article are included in the article’s Creative Commons license, unless indicated otherwise in a credit line to the material. If material is not included in the article’s Creative Commons license and your intended use is not permitted by statutory regulation or exceeds the permitted use, you will need to obtain permission directly from the copyright holder. To view a copy of this license, visit http://creativecommons.org/licenses/by/4.0/.

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Chemometrics-driven selection of bioactivity-correlated chemical combination in GTEs and visualization of observed ORAC values using the selected combination. (A) The highest correlation was found between observed ORAC value and the summed abundance (Intensity) of 4 components as a bioactivity-predictive combination. Correlations based on the relative value (Relative; Maximum: 100, Minimum: 1) and ranked scored value (Score; Top: 21, Bottom: 1) of the summed abundance are also shown. (B) Correlation of Relative value of each individual component with ORAC. (C) Observed ORAC values of GTEs visualized as radar charts using information from the 4 selected components. Selected representative charts of the GTEs are shown, demonstrating that ORAC can be visually estimated from the 4 component abundances.